nickel(2+);(4Z,15Z)-3,5,14,16-tetramethyl-2,13-diaza-6,17-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene

C22H22N4Ni — CID 6312597

IUPACnickel(2+);(4Z,15Z)-3,5,14,16-tetramethyl-2,13-diaza-6,17-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene
SMILESC/C1=C/C(C)=N/c2ccccc2[N-]/C(C)=C\C(C)=N\c2ccccc2[N-]1.[Ni+2]
InChIInChI=1S/C22H22N4.Ni/c1-15-13-16(2)24-21-11-7-8-12-22(21)26-18(4)14-17(3)25-20-10-6-5-9-19(20)23-15;/h5-14H,1-4H3;/q-2;+2/b15-13-,18-14-,24-16+,25-17+;
InChIKeyGHJXMPZOKUOEEY-SHBXHWNHSA-N
MW401.14 g/mol
LogP7.40
Rot. Bonds

About nickel(2+);(4Z,15Z)-3,5,14,16-tetramethyl-2,13-diaza-6,17-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene

nickel(2+);(4Z,15Z)-3,5,14,16-tetramethyl-2,13-diaza-6,17-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene (PubChem CID 6312597) has the molecular formula C22H22N4Ni and a molecular weight of 401.14 g/mol. Its IUPAC name is nickel(2+);(4Z,15Z)-3,5,14,16-tetramethyl-2,13-diaza-6,17-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene.

Molecular Properties

Compound Namenickel(2+);(4Z,15Z)-3,5,14,16-tetramethyl-2,13-diaza-6,17-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene
PubChem CID6312597
Molecular FormulaC22H22N4Ni
Molecular Weight401.14 g/mol
Exact Mass400.12
IUPAC Namenickel(2+);(4Z,15Z)-3,5,14,16-tetramethyl-2,13-diaza-6,17-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene
SMILESC/C1=C/C(C)=N/c2ccccc2[N-]/C(C)=C\C(C)=N\c2ccccc2[N-]1.[Ni+2]
InChIInChI=1S/C22H22N4.Ni/c1-15-13-16(2)24-21-11-7-8-12-22(21)26-18(4)14-17(3)25-20-10-6-5-9-19(20)23-15;/h5-14H,1-4H3;/q-2;+2/b15-13-,18-14-,24-16+,25-17+;
InChIKeyGHJXMPZOKUOEEY-SHBXHWNHSA-N
XLogP7.40
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.14
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze nickel(2+);(4Z,15Z)-3,5,14,16-tetramethyl-2,13-diaza-6,17-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of nickel(2+);(4Z,15Z)-3,5,14,16-tetramethyl-2,13-diaza-6,17-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene?
The IUPAC name of nickel(2+);(4Z,15Z)-3,5,14,16-tetramethyl-2,13-diaza-6,17-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene (CID 6312597) is nickel(2+);(4Z,15Z)-3,5,14,16-tetramethyl-2,13-diaza-6,17-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene.
What is the SMILES notation for nickel(2+);(4Z,15Z)-3,5,14,16-tetramethyl-2,13-diaza-6,17-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene?
The canonical SMILES for nickel(2+);(4Z,15Z)-3,5,14,16-tetramethyl-2,13-diaza-6,17-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene is C/C1=C/C(C)=N/c2ccccc2[N-]/C(C)=C\C(C)=N\c2ccccc2[N-]1.[Ni+2].
What is the InChIKey of nickel(2+);(4Z,15Z)-3,5,14,16-tetramethyl-2,13-diaza-6,17-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene?
The InChIKey is GHJXMPZOKUOEEY-SHBXHWNHSA-N. The full InChI is InChI=1S/C22H22N4.Ni/c1-15-13-16(2)24-21-11-7-8-12-22(21)26-18(4)14-17(3)25-20-10-6-5-9-19(20)23-15;/h5-14H,1-4H3;/q-2;+2/b15-13-,18-14-,24-16+,25-17+;.
What are the key properties of nickel(2+);(4Z,15Z)-3,5,14,16-tetramethyl-2,13-diaza-6,17-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene?
nickel(2+);(4Z,15Z)-3,5,14,16-tetramethyl-2,13-diaza-6,17-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene has a molecular weight of 401.14 g/mol, XLogP of 7.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);(4Z,15Z)-3,5,14,16-tetramethyl-2,13-diaza-6,17-diazanidatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene is sourced from PubChem (CID 6312597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).